Research Explorer

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Researcher

Leonid Maximowitsch Komissarov

Publications & Research Data

Awards & Distinctions

7 Results

2023

A reactive molecular dynamics study of chlorinated organic compounds : part II : a ChemTraYzer study of chlorinated dibenzofuran formation and decomposition processes

Lukas KrepFelix SchmalzFlorian SolbachLeonid Maximowitsch KomissarovThomas NevolianisWassja A. KoppToon VerstraelenKai Leonhard

A1 Journal Article in CHEMPHYSCHEM

A reactive molecular dynamics study of chlorinated organic compounds, part I : force field development

Leonid Maximowitsch KomissarovLukas KrepFelix SchmalzWassja A. KoppKai LeonhardToon Verstraelen

A1 Journal Article in CHEMPHYSCHEM

2022

Optimizing potential energy surface models

Leonid Maximowitsch KomissarovToon Verstraelen

Zeo-1 : a computational data set of zeolite structures

Leonid Maximowitsch KomissarovToon Verstraelen

A1 Journal Article in SCIENTIFIC DATA

2021

Improving the silicon interactions of GFN-xTB

Leonid Maximowitsch KomissarovToon Verstraelen

A1 Journal Article in JOURNAL OF CHEMICAL INFORMATION AND MODELING

ParAMS : Parameter optimization for Atomistic and Molecular Simulations

Leonid Maximowitsch KomissarovRobert RügerMatti HellströmToon Verstraelen

A1 Journal Article in JOURNAL OF CHEMICAL INFORMATION AND MODELING

Zeo-1: A computational data set of zeolite structures

Leonid Maximowitsch KomissarovToon Verstraelen